1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one

C20H18BrNO — CID 69343307

IUPAC1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one
SMILESCCc1nc2ccc(Br)cc2c(-c2ccccc2)c1CC(C)=O
InChIInChI=1S/C20H18BrNO/c1-3-18-16(11-13(2)23)20(14-7-5-4-6-8-14)17-12-15(21)9-10-19(17)22-18/h4-10,12H,3,11H2,1-2H3
InChIKeyBRHBLUGGMHHTRL-UHFFFAOYSA-N
MW368.27 g/mol
LogP5.36
Rot. Bonds4

About 1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one

1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one (PubChem CID 69343307) has the molecular formula C20H18BrNO and a molecular weight of 368.27 g/mol. Its IUPAC name is 1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one
PubChem CID69343307
Molecular FormulaC20H18BrNO
Molecular Weight368.27 g/mol
Exact Mass367.06
IUPAC Name1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one
SMILESCCc1nc2ccc(Br)cc2c(-c2ccccc2)c1CC(C)=O
InChIInChI=1S/C20H18BrNO/c1-3-18-16(11-13(2)23)20(14-7-5-4-6-8-14)17-12-15(21)9-10-19(17)22-18/h4-10,12H,3,11H2,1-2H3
InChIKeyBRHBLUGGMHHTRL-UHFFFAOYSA-N
XLogP5.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.27
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one?
The IUPAC name of 1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one (CID 69343307) is 1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one.
What is the SMILES notation for 1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one?
The canonical SMILES for 1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one is CCc1nc2ccc(Br)cc2c(-c2ccccc2)c1CC(C)=O.
What is the InChIKey of 1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one?
The InChIKey is BRHBLUGGMHHTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO/c1-3-18-16(11-13(2)23)20(14-7-5-4-6-8-14)17-12-15(21)9-10-19(17)22-18/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one?
1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one has a molecular weight of 368.27 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one is sourced from PubChem (CID 69343307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).